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2,2,2-Trifluoro-N-[3-(4-hydroxy-phenyl)-2-(2,2,2-trifluoro-acetylamino)-propyl]-acetamide
SpectraBase Compound ID D98Cz9GSQ4n
InChI InChI=1S/C13H12F6N2O3/c14-12(15,16)10(23)20-6-8(21-11(24)13(17,18)19)5-7-1-3-9(22)4-2-7/h1-4,8,22H,5-6H2,(H,20,23)(H,21,24)
InChIKey HLXJEUPHYNXRND-UHFFFAOYSA-N
Mol Weight 358.24 g/mol
Molecular Formula C13H12F6N2O3
Exact Mass 358.075211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0Xs6b8Ns6a
Name 2,2,2-Trifluoro-N-[3-(4-hydroxy-phenyl)-2-(2,2,2-trifluoro-acetylamino)-propyl]-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 358.075211229 u
Formula C13H12F6N2O3
InChI InChI=1S/C13H12F6N2O3/c14-12(15,16)10(23)20-6-8(21-11(24)13(17,18)19)5-7-1-3-9(22)4-2-7/h1-4,8,22H,5-6H2,(H,20,23)(H,21,24)
InChIKey HLXJEUPHYNXRND-UHFFFAOYSA-N
Molecular Weight 358.240 g/mol
SMILES Oc1ccc(CC(CNC(C(F)(F)F)=O)NC(C(F)(F)F)=O)cc1